Geometry & MOs

Info

ID:	408985
PubChem CID:	135081758
Reduced:	ZrCl2C30H36 (1)
Stoich.:	AB2C30D36 (1)
Weight, g/mol:	396.281701
ΔH_f, kcal/mol:	-32.88
Dipole, Da:	4.01
IP(EA), eV:	-6.81(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=C([C]2[C]1[CH][C]([C]2CC[C]3[C]([CH][C]4[C]3C(=CC=C4C)C(C)C)C)C)C(C)C.Cl[Zr]Cl

DOS

IR

Vibrations